1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride

C17H29Cl2FN2O — CID 171308046

IUPAC1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1cc(OC)ccc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H27FN2O.2ClH/c1-3-4-5-6-17(20-11-9-19-10-12-20)15-13-14(21-2)7-8-16(15)18;;/h7-8,13,17,19H,3-6,9-12H2,1-2H3;2*1H/t17-;;/m1../s1
InChIKeyXEYXCXBXCZSTLF-ZEECNFPPSA-N
MW367.34 g/mol
LogP4.20
Rot. Bonds7

About 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride

1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride (PubChem CID 171308046) has the molecular formula C17H29Cl2FN2O and a molecular weight of 367.34 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
PubChem CID171308046
Molecular FormulaC17H29Cl2FN2O
Molecular Weight367.34 g/mol
Exact Mass366.16
IUPAC Name1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1cc(OC)ccc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H27FN2O.2ClH/c1-3-4-5-6-17(20-11-9-19-10-12-20)15-13-14(21-2)7-8-16(15)18;;/h7-8,13,17,19H,3-6,9-12H2,1-2H3;2*1H/t17-;;/m1../s1
InChIKeyXEYXCXBXCZSTLF-ZEECNFPPSA-N
XLogP4.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307637
1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308814
1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307745
1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine
CID 171182642
1-[(1S)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride
CID 171167769
1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride
CID 171173084
(2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174680
1-[(1R)-1-(2-fluoro-4-methoxyphenyl)butyl]piperazine
CID 171168534
1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine
CID 171167852
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171171020

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride (CID 171308046) is 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride is CCCCC[C@H](c1cc(OC)ccc1F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride?
The InChIKey is XEYXCXBXCZSTLF-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H27FN2O.2ClH/c1-3-4-5-6-17(20-11-9-19-10-12-20)15-13-14(21-2)7-8-16(15)18;;/h7-8,13,17,19H,3-6,9-12H2,1-2H3;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride has a molecular weight of 367.34 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).